5 Rating of Argo1

Category: Python - Miscellaneous

This software carries the ancient Greek name Argo, which was the name of the ship that built Jason for the Argonauts' expedition. The choice of this name symbolizes the effort to achieve the final objective of optimum utilization of the results from quantum chemical calculations using the GAUSSIAN program.

Our initial goal was to obtain the parameters of conformers in the conformational analysis from GAUSSIAN program and illustrate the Potential Energy Surface (PES) and distinguish the positions of the local minima, global minimum and global maximum.

The big advantage of ARGO is that it saves enormous working time for HD graphics of PES. This time approaches even days and for example after conformational analysis of hydroxytyrosol (HT) we constructed the PES in a few minutes.

Our code is freely available throughout the academic community with the ambition to be used, to be supplemented by others, and become an indispensable tool for optimum utilization of GAUSSIAN results. Date: 05 April, 2016



License: Freeware

Operating System: Not Available

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